X-ray Crystallography
X-ray Diffraction of Biological Samples
Molecular and Ionic Solids
Discrete Fourier Transform
Structures of Solids
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Hannes Gustafsson1, Fabian Schwarz1, Thijs Smolders1
1Department of Chemistry - Ångström, Uppsala University, SE-751 21 Uppsala, Sweden.
我们使用密度函数理论 (DFT) 计算开发了一种更快的选离子扩散方法. 这种方法显著减少了计算时间,同时保持了离子导体等材料的准确性.
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